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Crystal structure of 4-methyl-7-prop­oxy-2H-chromen-2-one

The asymmetric unit of the title compound, C(13)H(14)O(3), contains two independent mol­ecules, A and B, that are inter­connected through an offset π–π inter­action [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each mol­ecule are essentially coplanar, having...

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Detalles Bibliográficos
Autores principales: Estrada-Soto, Samuel, Sánchez-Recillas, Amanda, Navarrete-Vázquez, Gabriel, Tlahuext, Hugo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257269/
https://www.ncbi.nlm.nih.gov/pubmed/25484772
http://dx.doi.org/10.1107/S1600536814023678
Descripción
Sumario:The asymmetric unit of the title compound, C(13)H(14)O(3), contains two independent mol­ecules, A and B, that are inter­connected through an offset π–π inter­action [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each mol­ecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for mol­ecules A and B, respectively. Similarly, the coumarin ring system and the 7-prop­oxy substituent are close to being coplanar [C—C—O—C torsion angles = 2.9 (2) and 1.4 (2)° for mol­ecules A and B, respectively]. In the crystal, the mol­ecules are connected by C—H⋯O hydrogen bonds, forming supra­molecular tapes along [100] that are linked into a three-dimensional network by C—H⋯π inter­actions, as well as by the aforementioned π–π inter­actions.